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2,6-Pyridinedicarboxylic acid, 3-bromobenzyl butyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 3-bromobenzyl butyl ester
SpectraBase Compound ID BHqtks8qJXB
InChI InChI=1S/C18H18BrNO4/c1-2-3-10-23-17(21)15-8-5-9-16(20-15)18(22)24-12-13-6-4-7-14(19)11-13/h4-9,11H,2-3,10,12H2,1H3
InChIKey DIRLYAFEINOKCW-UHFFFAOYSA-N
Mol Weight 392.25 g/mol
Molecular Formula C18H18BrNO4
Exact Mass 391.041921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Btwgov6dQus
Name 2,6-Pyridinedicarboxylic acid, 3-bromobenzyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrNO4
InChI InChI=1S/C18H18BrNO4/c1-2-3-10-23-17(21)15-8-5-9-16(20-15)18(22)24-12-13-6-4-7-14(19)11-13/h4-9,11H,2-3,10,12H2,1H3
InChIKey DIRLYAFEINOKCW-UHFFFAOYSA-N
Molecular Weight 392.249 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)Br)=O)=O)CCC
SPLASH splash10-00b9-2900000000-a122f7c4ef1c033b74ff
Source of Spectrum TIPS-2023-915-0
Wiley ID 1885621